1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one

C17H24FN3OS — CID 126899847

IUPAC1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(Cc2nc3c(s2)CCC3)CC1
InChIInChI=1S/C17H24FN3OS/c18-9-12-8-17(22)21(10-12)13-4-6-20(7-5-13)11-16-19-14-2-1-3-15(14)23-16/h12-13H,1-11H2
InChIKeyPEVXUINOAGSPQS-UHFFFAOYSA-N
MW337.46 g/mol
LogP2.41
Rot. Bonds4

About 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one

1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (PubChem CID 126899847) has the molecular formula C17H24FN3OS and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
PubChem CID126899847
Molecular FormulaC17H24FN3OS
Molecular Weight337.46 g/mol
Exact Mass337.16
IUPAC Name1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(Cc2nc3c(s2)CCC3)CC1
InChIInChI=1S/C17H24FN3OS/c18-9-12-8-17(22)21(10-12)13-4-6-20(7-5-13)11-16-19-14-2-1-3-15(14)23-16/h12-13H,1-11H2
InChIKeyPEVXUINOAGSPQS-UHFFFAOYSA-N
XLogP2.41
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide
CID 164638829
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 75497427
(3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97794846
(3R)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97794847
4-(Fluoromethyl)-1-{1-[(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]piperidin-4-yl}pyrrolidin-2-one
CID 126899846
1-(1-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}piperidin-4-yl)-4-(fluoromethyl)pyrrolidin-2-one
CID 126899895
1-[1-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidine-4-carbonyl]-4,4-difluoropiperidine
CID 155975952
1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-1-yl]-2-fluoroprop-2-en-1-one
CID 166417518
[1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676540
1-(4-((5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)methyl)piperazin-1-yl)ethanone
CID 44060292
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-isobutyl-5-oxopyrrolidine-3-carboxamide
CID 50960805
1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperazin-1-yl]-2-propylpentan-1-one
CID 44060293

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The IUPAC name of 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (CID 126899847) is 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is O=C1CC(CF)CN1C1CCN(Cc2nc3c(s2)CCC3)CC1.
What is the InChIKey of 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The InChIKey is PEVXUINOAGSPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3OS/c18-9-12-8-17(22)21(10-12)13-4-6-20(7-5-13)11-16-19-14-2-1-3-15(14)23-16/h12-13H,1-11H2.
What are the key properties of 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one has a molecular weight of 337.46 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 126899847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).